N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine

C16H30N4 — CID 107379566

IUPACN-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
SMILESCCC(CC)CN(CC)c1cnc(CNC(C)C)cn1
InChIInChI=1S/C16H30N4/c1-6-14(7-2)12-20(8-3)16-11-18-15(10-19-16)9-17-13(4)5/h10-11,13-14,17H,6-9,12H2,1-5H3
InChIKeyXSMPXHQMWMXLIZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.24
Rot. Bonds9

About N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine

N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine (PubChem CID 107379566) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
PubChem CID107379566
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
SMILESCCC(CC)CN(CC)c1cnc(CNC(C)C)cn1
InChIInChI=1S/C16H30N4/c1-6-14(7-2)12-20(8-3)16-11-18-15(10-19-16)9-17-13(4)5/h10-11,13-14,17H,6-9,12H2,1-5H3
InChIKeyXSMPXHQMWMXLIZ-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379098
N-ethyl-5-[(propan-2-ylamino)methyl]-N-propylpyrazin-2-amine
CID 107379089
N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379342
5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
CID 107373392
N-ethyl-N-(furan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379760
N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80632647
N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379212
N,N-diethyl-5-(ethylaminomethyl)pyrazin-2-amine
CID 107378823
N-cyclopentyl-N-methyl-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379057
N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107380534
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylpyrimidin-4-amine
CID 80896175
5-butan-2-yl-N-ethyl-N-propylpyrazin-2-amine
CID 144824939

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine (CID 107379566) is N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine is CCC(CC)CN(CC)c1cnc(CNC(C)C)cn1.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The InChIKey is XSMPXHQMWMXLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-14(7-2)12-20(8-3)16-11-18-15(10-19-16)9-17-13(4)5/h10-11,13-14,17H,6-9,12H2,1-5H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine is sourced from PubChem (CID 107379566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).